General Information of the Compound
| Compound ID |
CP0420118
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| Compound Name |
5-[2-(3,4-dimethoxyphenyl)propan-2-yl]-2-[2-(2-fluoro-4-imidazol-1-ylphenoxy)ethylsulfanyl]-1-(4-fluorophenyl)imidazole
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| Structure |
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| Formula |
C31H30F2N4O3S
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| Molecular Weight |
576.669
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)(C)c1cnc(SCCOc2ccc(cc2F)-n2ccnc2)n1-c1ccc(F)cc1
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| InChI |
InChI=1S/C31H30F2N4O3S/c1-31(2,21-5-11-27(38-3)28(17-21)39-4)29-19-35-30(37(29)23-8-6-22(32)7-9-23)41-16-15-40-26-12-10-24(18-25(26)33)36-14-13-34-20-36/h5-14,17-20H,15-16H2,1-4H3
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| InChIKey |
VYMQHSXPPKDMAJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound